Changeset f63e41 for src/Actions


Ignore:
Timestamp:
Dec 14, 2012, 2:30:23 PM (12 years ago)
Author:
Frederik Heber <heber@…>
Branches:
Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
Children:
8b886f
Parents:
cb2465
git-author:
Frederik Heber <heber@…> (11/14/12 10:37:48)
git-committer:
Frederik Heber <heber@…> (12/14/12 14:30:23)
Message:

Added Actions to add and remove a bond in between two atoms.

  • added new menu "bond".
  • added new CommandLineParser options "bond".
  • added new regression test folder "bond".
  • also added regression tests with undo/redo for the new actions.
Location:
src/Actions
Files:
6 added
2 edited

Legend:

Unmodified
Added
Removed

  • src/Actions/GlobalListOfActions.hpp

    rcb2465 rf63e41  
    7272  (AtomTranslate) \
    7373  (AtomAdd) \
     74  (BondAdd) \
     75  (BondRemove) \
    7476  (WorldCenterInBox) \
    7577  (WorldRepeatBox) \

  • src/Actions/Makefile.am

    rcb2465 rf63e41  
    5151  ${ANALYSISACTIONSOURCE} \
    5252  ${ATOMACTIONSOURCE} \
     53  ${BONDACTIONSOURCE} \
    5354  ${CMDACTIONSOURCE} \
    5455  ${FILLACTIONSOURCE} \
    … …  
    6970  ${ANALYSISACTIONHEADER} \
    7071  ${ATOMACTIONHEADER} \
     72  ${BONDACTIONHEADER} \
    7173  ${CMDACTIONHEADER} \
    7274  ${FILLACTIONHEADER} \
    … …  
    8789  ${ANALYSISACTIONDEFS} \
    8890  ${ATOMACTIONDEFS} \
     91  ${BONDACTIONDEFS} \
    8992  ${CMDACTIONDEFS} \
    9093  ${FILLACTIONDEFS} \
    … …  
    157160  Actions/AtomAction/SaveSelectedAtomsAction.def \
    158161  Actions/AtomAction/TranslateAction.def
     162
     163BONDACTIONSOURCE = \
     164  Actions/BondAction/BondAddAction.cpp \
     165  Actions/BondAction/BondRemoveAction.cpp
     166BONDACTIONHEADER = \
     167  Actions/BondAction/BondAddAction.hpp \
     168  Actions/BondAction/BondRemoveAction.hpp
     169BONDACTIONDEFS = \
     170  Actions/BondAction/BondAddAction.def \
     171  Actions/BondAction/BondRemoveAction.def
    159172
    160173CMDACTIONSOURCE = \
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